[(3S,5S,7R,8S,9S,10R,11S,13S,14S,16S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-7-oxidanyl-6-oxidanylidene-11-triethylsilyloxy-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate

Systemtic Name: [(3S,5S,7R,8S,9S,10R,11S,13S,14S,16S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-7-oxidanyl-6-oxidanylidene-11-triethylsilyloxy-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate Openeye Name: [(3S,5S,7R,8S,9S,10R,11S,13S,14S,16S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-10,13-dimethyl-6-oxo-11-triethylsilyloxy-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate CAS Name: acetic acid [(3S,5S,7R,8S,9S,10R,11S,13S,14S,16S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7-hydroxy-10,13-dimethyl-6-oxo-11-triethylsilyloxy-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester IUPAC Name: [(3S,5S,7R,8S,9S,10R,11S,13S,14S,16S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7-hydroxy-10,13-dimethyl-6-oxo-11-triethylsilyloxy-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate Traditional Name: acetic acid [(3S,5S,7R,8S,9S,10R,11S,13S,14S,16S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-keto-10,13-dimethyl-11-triethylsilyloxy-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester Formula: C42H76O6Si2 MolecularWeight: 733.22024

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Descriptors Computed from Structure

Canonical SMILES:

CC[Si](CC)(CC)OC1CC2(C(CC(C2C(C)C=CC(C)C(C)C)OC(=O)C)C3C1C4(CCC(CC4C(=O)C3O)O[Si](C)(C)C(C)(C)C)C)C

Isomeric SMILES

CC[Si](CC)(CC)O[C@H]1C[C@]2([C@@H](C[C@@H]([C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)OC(=O)C)[C@H]3[C@H]1[C@]4(CC[C@@H](C[C@@H]4C(=O)[C@@H]3O)O[Si](C)(C)C(C)(C)C)C)C

InChI

InChI=1S/C42H76O6Si2/c1-16-50(17-2,18-3)48-34-25-42(13)31(24-33(46-29(8)43)36(42)28(7)20-19-27(6)26(4)5)35-37(34)41(12)22-21-30(23-32(41)38(44)39(35)45)47-49(14,15)40(9,10)11/h19-20,26-28,30-37,39,45H,16-18,21-25H2,1-15H3/b20-19+/t27-,28+,30-,31-,32+,33-,34-,35-,36-,37-,39+,41-,42-/m0/s1